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In this work, an analytical procedure was developed to monitor the ethanolysis of degummed soybean oil (DSO) using Fourier-transformed mid-infrared spectroscopy (FTIR) and methods of multivariate analysis such as principal component analysis (PCA) and partial least squares regression (PLS). The triglycerides (reagents) and ethyl esters (products) involved in ethanolysis were shown to have similar FTIR spectra. However, when the FTIR spectra derived from seven standard mixtures of triolein and ethyl oleate were treated by PCA at the region that represents the CO stretching vibration of ester groups (1700-1800 cm−1), only two principal components (PC) were shown to capture 99.95% of the total spectral variance (92.37% for the former and 7.58% for the latter PC). This observation supported the development of a multivariate calibration model that was based on the PLS regression of the FTIR data. The prevision capability of this model was measured against 40 reaction aliquots whose ester content was previously determined by size exclusion chromatography. Only small discrepancies were observed when the two experimental data sets were treated by linear regression (R2=0.9837) and these deviations were attributed to the occurrence of non-modeled transient species in the reaction mixture (reaction intermediates), particularly at short reaction times. Therefore, the FTIR/PLS model was shown to be a fast and accurate method to predict reaction yields and to follow the in situ kinetics of soybean oil ethanolysis. 相似文献
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van Der Voort M Rella CW van Der Meer LF Akimov AV Dijkhuis JI 《Physical review letters》2000,84(6):1236-1239
We present results of the first vibrational photon-echo, transient-grating, and temperature dependent transient-bleaching experiments on a-Si:H. Using these techniques, and the infrared light of a free electron laser, the vibrational population decay and phase relaxation of the Si-H stretching mode were investigated. Careful analysis of the data indicates that the vibrational energy relaxes directly into Si-H bending modes and Si phonons, with a distribution of rates determined by the amorphous host. Conversely, the pure dephasing appears to be single exponential, and can be modeled by dephasing via two-phonon interactions. 相似文献
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O. Renault N. Barrett L.F. Zagonel J.C. Cezar K. Winkler D. Funnemann 《Surface science》2007,601(20):4727-4732
The importance of energy filtering in PEEM-based imaging methods has been shown in recent years with the availability of powerful instruments. A new instrument, the NanoESCA, combines a fully electrostatic PEEM column and an aberration corrected double hemispherical analyser as energy filter. This paper reports on recently demonstrated XPEEM results using the first commercially available NanoESCA instrument operated with both synchrotron soft X-rays and monochromatic laboratory Al Kα radiation. The implementation of elemental and bonding-state specific imaging is shown with both excitation sources. The presently achieved (but not yet ultimate) lateral resolutions on energy filtered core-level images are 150 nm with a large synchrotron spot and below 1 μm with a focused laboratory source. To date this is the unique example of laboratory XPEEM core-level imaging. 相似文献
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The influence of surface enhanced covalency on the Madelung potential is experimentally investigated using angle-resolved photoemission for (100), (110) and (111) SrTiO3 surfaces after annealing in UHV at 630 °C. Deconvolution of the core level spectra (O 1s, Sr 3d and Ti 2p) distinguishes bulk and surface components, which are interpreted in terms of surface enhanced covalency (SEC). By comparing the experimentally measured binding energies with theoretical calculations developed in the framework of the Localized-Hole Point-Ion Model, we quantitatively determine the effective electron occupancy at bulk and surface Sr and Ti sites. Our results confirm the essentially ionic character of Sr–O bond and the partially covalent character of Ti–O bond in bulk STO. The cation Ti and Sr electron occupation is greater for all the three surfaces than in the bulk. Surface covalency shifts the Madelung potential at the surface by ΔEM. ΔEM is a minimum for the (111) surface, and increases through (100), attaining a maximum for (110). The angle-resolved valence band spectra and the work function values also confirm this trend. The results are consistent with d–d charge fluctuations dominating at the surface, whereas metal-ligand charge transfers are more energetically favourable in the bulk. 相似文献
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F. de la Pe?a N. Barrett L.F. Zagonel M. Walls O. Renault 《Surface science》2010,604(19-20):1628-1636
Fully energy-filtered X-ray photoelectron emission microscopy is used to analyze the spatial distribution of the silicon sub-oxide structure at the SiO2/Si interface as a function of underlying doping pattern. Using a spectroscopic pixel-by-pixel curve fitting analysis, we obtain the sub-oxide binding energy and intensity distributions over the full field of view. Binding energy maps for each oxidation state are obtained with a spatial resolution of 120 nm. Within the framework of a five-layer model, the experimental data are used to obtain quantitative maps of the sub-oxide layer thickness and also their spatial distribution over the p–n junctions. Variations in the sub-oxide thicknesses are found to be linked to the level and type of doping. The procedure, which takes into account instrumental artefacts, enables the quantitative analysis of the full 3D dataset. 相似文献
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Tizei LH Craven AJ Zagonel LF Tencé M Stéphan O Chiaramonte T Cotta MA Ugarte D 《Physical review letters》2011,107(19):195503
We have performed a detailed study of the lattice distortions of InP wurtzite nanowires containing an axial screw dislocation. Eshelby predicted that this kind of system should show a crystal rotation due to the dislocation induced torque. We have measured the twisting rate and the dislocation Burgers vector on individual wires, revealing that nanowires with a 10-nm radius have a twist up to 100% larger than estimated from elasticity theory. The strain induced by the deformation has a Mexican-hat-like geometry, which may create a tube-like potential well for carriers. 相似文献
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